SCHEMBL800118

SCHEMBL800118

CC(C)/C=C(\Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
CAMK2A Q9UQM7 1/20 0.52
CTBP2 P56545 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
GRIK1 P39086 2/20 0.43
GRIA2 P42262 2/20 0.43
GRIA4 P48058 2/20 0.43
GRIK3 Q13003 2/20 0.43
GRIK5 Q16478 2/20 0.43
GRIA1 P42261 1/20 0.43
GRIK2 Q13002 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC7A5 Q01650 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
SLC6A2 P23975 1/20 0.40
LMNA P02545 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL800484 0.87 CYP3A4 (0.58) CTBP2FNTAFNTBGRIK1GRIA2
SCHEMBL800588 0.86 ALDH1A1 (0.47) CA2GRIK1GRIA2GRIA4GRIK3
SCHEMBL800076 0.83 PLA2G10 (0.45) CA2GRIK1GRIA2GRIA4GRIK3
SCHEMBL800077 0.83 HTT (0.54) CTBP2CYP3A4
SCHEMBL800784 0.80 ALDH1A1 (0.49)
SCHEMBL800564 0.79 CA2 (0.52) CA2CAMK2ACTBP2FNTAFNTB
SCHEMBL800089 0.78 CYP19A1 (0.43) CYP3A4LMNABLM
SCHEMBL800614 0.78 LTA4H (0.44) CYP3A4TAAR1ESR1ESR2
SCHEMBL800075 0.76 SPHK2 (0.47) CA2GRIK1GRIA2GRIA4GRIK3
SCHEMBL800491 0.74 NAPRT (0.57) CYP3A4CYP2C9LMNAESR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CA2 313/4885CAMK2A 1272/4885CTBP2 4046/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 CA2 2545/4885CAMK2A 2723/4885CTBP2 4106/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CA2 355/4885CAMK2A 1253/4885CTBP2 3605/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.